{"id":140786,"date":"2026-01-12T17:57:29","date_gmt":"2026-01-12T17:57:29","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/representacion-funcional-de-superficies-de-energia-potencial-para-sistemas-de-tres-atomos\/"},"modified":"2026-01-12T17:57:29","modified_gmt":"2026-01-12T17:57:29","slug":"representacion-funcional-de-superficies-de-energia-potencial-para-sistemas-de-tres-atomos","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/representacion-funcional-de-superficies-de-energia-potencial-para-sistemas-de-tres-atomos\/","title":{"rendered":"Representacion funcional de superficies de energia potencial para sistemas de tres atomos."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Alfredo Aguado Gomez <\/strong><\/h2>\n<p>La representacion funcional de superficies de energia potencial (pes) constituye una etapa clave en la realizacion de calculos de dinamica molecular. En esta memoria hemos analizado los metodos existentes y encontrado que no existe un metodo general que permita su utilizacion para cualquier sistema de tres atomos. Esto nos ha llevado a proponer una nueva forma funcional que supone una generalizacion de las funciones de rydberg, que presenta la ventaja de que su estabilidad permite representar \u00abpes\u00bb con una precision de al menos 1 kcal\/mq (precision quimica). Ademas hemos elegido esta forma funcional para que cumpla todos los requisitos de simetria y condiciones de contorno del sistema triatomico.  por ultimo, hemos analizado los resultados para sistemas triatomicos de los tres tipos de sinergia posibles, obteniendo los potenciales para el estado fundamental (y para algunos excitados) de los sistemas: heh2+, lifh y befh, h3.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Representacion funcional de superficies de energia potencial para sistemas de tres atomos.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Representacion funcional de superficies de energia potencial para sistemas de tres atomos. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Alfredo Aguado Gomez <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Aut\u00f3noma de Madrid<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1992<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h3>Direcci\u00f3n y tribunal<\/h3>\n<ul>\n<li><strong>Director de la tesis<\/strong>\n<ul>\n<li>Miguel Paniagua Caparr\u00f3s<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Carlos Sieiro Del Nido <\/li>\n<li>Ignacio Nebot Gil (vocal)<\/li>\n<li>Ernesto Mart\u00ednez Ataz (vocal)<\/li>\n<li>Pablo Villareal Herranz (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Alfredo Aguado Gomez La representacion funcional de superficies de energia potencial (pes) constituye una etapa clave en 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